2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine

C19H31NS — CID 64627775

IUPAC2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C(C)SCC1CCCC1
InChIInChI=1S/C19H31NS/c1-4-13-20-19(18-11-9-15(2)10-12-18)16(3)21-14-17-7-5-6-8-17/h9-12,16-17,19-20H,4-8,13-14H2,1-3H3
InChIKeyHNAWCAXXLCFNII-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.35
Rot. Bonds8

About 2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine

2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine (PubChem CID 64627775) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine
PubChem CID64627775
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C(C)SCC1CCCC1
InChIInChI=1S/C19H31NS/c1-4-13-20-19(18-11-9-15(2)10-12-18)16(3)21-14-17-7-5-6-8-17/h9-12,16-17,19-20H,4-8,13-14H2,1-3H3
InChIKeyHNAWCAXXLCFNII-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-2-(oxolan-2-ylmethylsulfanyl)-N-propylpropan-1-amine
CID 106496806
3-[1-(4-methylphenyl)-1-(propylamino)propan-2-yl]sulfanylbutan-1-ol
CID 66136881
1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine
CID 63536931
N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 64612135
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
N-[1-[3-bromo-4-(cyclopentylmethylsulfanyl)phenyl]ethyl]propan-1-amine
CID 63532769
2-butylsulfanyl-1-phenyl-N-propylpropan-1-amine
CID 64610486
1-(4-methylphenyl)-2-methylsulfinyl-N-propylpropan-1-amine
CID 64655218
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine
CID 79333225
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine (CID 64627775) is 2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine is CCCNC(c1ccc(C)cc1)C(C)SCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is HNAWCAXXLCFNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-4-13-20-19(18-11-9-15(2)10-12-18)16(3)21-14-17-7-5-6-8-17/h9-12,16-17,19-20H,4-8,13-14H2,1-3H3.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine?
2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 305.53 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 64627775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).